SCHEMBL26501288

SCHEMBL26501288

Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)nc3)CC2)nn1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 14/20 0.57
TRPV1 Q8NER1 5/20 0.53
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19747663 0.85 PANK3 (0.74) PANK3TRPV1
SCHEMBL26501600 0.84 PANK3 (0.79) PANK3TRPV1ALDH1A1MAPT
SCHEMBL26501285 0.78 PANK3 (0.79) PANK3KDM4EALDH1A1
SCHEMBL26501605 0.78 PANK3 (0.63) PANK3TRPV1MAPT
SCHEMBL23657515 0.76 PANK3 (0.51) PANK3TRPV1KDM4EALDH1A1MAPT
SCHEMBL21406450 0.73 PANK3 (1.00) PANK3TRPV1MAPT
SCHEMBL26501631 0.73 PANK3 (0.77) PANK3TRPV1
SCHEMBL26501700 0.72 PTPN1 (0.40) TRPV1KDM4EALDH1A1MAPT
SCHEMBL19748515 0.72 PANK3 (1.00) PANK3TRPV1KDM4EALDH1A1MAPT
SCHEMBL27702496 0.71 BPTF (0.48) PANK3TRPV1KDM4EALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885TRPV1 4795/4885KDM4E 1116/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.